CID 684309

6-fluoro-2,3,4,9-tetrahydro-1h-carbazol-1-one

Structural Information

Molecular Formula
C12H10FNO
SMILES
C1CC2=C(C(=O)C1)NC3=C2C=C(C=C3)F
InChI
InChI=1S/C12H10FNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,14H,1-3H2
InChIKey
KXRCTKTUQDTGQN-UHFFFAOYSA-N
Compound name
6-fluoro-2,3,4,9-tetrahydrocarbazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

203.07465 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08193 139.8
[M+Na]+ 226.06387 150.5
[M-H]- 202.06737 141.9
[M+NH4]+ 221.10847 161.3
[M+K]+ 242.03781 144.9
[M+H-H2O]+ 186.07191 133.0
[M+HCOO]- 248.07285 159.0
[M+CH3COO]- 262.08850 153.0
[M+Na-2H]- 224.04932 145.8
[M]+ 203.07410 137.2
[M]- 203.07520 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe